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Description of key information

Henry´s Law constant H of anthracene oil (benzo[a]pyrene < 50 ppm, AOL) is estimated as 39 Pa*m³/mol at ambient temperature, related to the vapour pressure and water solubility determined for anthracene oil.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
39
at the temperature of:
20 °C

Additional information

An experimental value of the Henry's Law constant H for anthracene oil is not available. As substitute, a value for H is derived using measured properties of anthracene oil (vapour pressure and water solubility at 20 °C) in combination with the molecular weight of the marker substance phenanthrene.

Using a vapour pressure of 1.1 Pa, the water solubility (WSF) of 5 mg C/L, and a molecular weight of 178.23 g/mol (marker substance phenanthrene), a Henry's Law constant of approx. 39 Pa*m³/mol is calculated.

H = VP / WS (WSF) x MW = 1.1 Pa / 5 mg/L x 178.23 g/mol = 39.2 Pa*m³/mol

Note: Measured Henry's Law constants of individual constituents of anthracene oil extend from approx. 6.5 Pa*m³/mol for fluorene to approx. 1.1 Pa*m³/mol for fluoranthene (de Maagd et al. 1998; method: gas stripping). Data compiled in EU 2008 (p. 18) are similar (various methods, see reference).

References:

de Maagd et al (1998): Physicochemical Properties of Polycyclic Aromatic Hydrocarbons: Aqueous Solubilities, n-Octanol/Water Partition Coefficients, and Henry's Law Constants. Environ. Toxicol. Chem. 17, 251-257

EU (Rapporteur: The Netherlands) (2008): Coal-Tar Pitch, high temperature - European Union Risk Assessment Report, The Netherlands (URL:https://echa.europa.eu/documents/10162/433ccfe1-f9a5-4420-9dae-bb316f898fe1)